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CAS 10203-30-2 3-DODECANOL molecular structure lightbox
CAS RN: 10203-30-2

3-DODECANOL

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251007 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10203-30-2
  • Purity/Analytical Methods: >99.0%
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10203-30-2 / dodecan-3-ol

3-Dodecanol | DTXSID30871200 | NSC 158523

Standard CAS: 10203-30-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
10203-30-2
Multi CAS
No
Molecular Formula
C12H26O
Molecular Weight
186.330000
Exact Mass
186.198365
SMILES
CCCCCCCCCC(CC)O
InChI
InChI=1S/C12H26O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h12-13H,3-11H2,1-2H3
InChIKey
OKDGZLITBCRLLJ-UHFFFAOYSA-N
Synonyms
3-Dodecanol DTXSID30871200 NSC 158523 RefChem:93730 DTXCID70818871

Physical Properties

Physical Description
Melting point = 25 deg C; [ChemIDplus] Melting point = 12 deg C

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.91
TPSA
20.23

LogP / Solubility

WLOGP
3.9
MLOGP
3.43
XLogP3
4.9
Consensus LogP
4.08
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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